Basic information
- Standard SMILES
COc1cc(C(=O)CSCCO)cc(OC)c1OC- InChIKey
HTAZXDZYPBJLDU-UHFFFAOYSA-N- Molecular formula
- C13H18O5S
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.08749484
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethylthio)-3',4',5'-trimethoxyacetophenone
- IUPAC
- 2-(2-hydroxyethylsulfanyl)-1-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
SCHEMBL6822578HTAZXDZYPBJLDU-UHFFFAOYSA-N2-(2-hydroxyethylthio)-3',4',5'-trimethoxyacetophenone
Database identifiers
- PubChem CID
- 21850175
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Compound notes
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